3,4-diethyltridecan-3-ylphosphane;hydroiodide

C17H38IP — CID 173158517

IUPAC3,4-diethyltridecan-3-ylphosphane;hydroiodide
SMILESCCCCCCCCCC(CC)C(P)(CC)CC.I
InChIInChI=1S/C17H37P.HI/c1-5-9-10-11-12-13-14-15-16(6-2)17(18,7-3)8-4;/h16H,5-15,18H2,1-4H3;1H
InChIKeyYVIKRDNUGZJGEC-UHFFFAOYSA-N
MW400.37 g/mol
LogP7.21
Rot. Bonds12

About 3,4-diethyltridecan-3-ylphosphane;hydroiodide

3,4-diethyltridecan-3-ylphosphane;hydroiodide (PubChem CID 173158517) has the molecular formula C17H38IP and a molecular weight of 400.37 g/mol. Its IUPAC name is 3,4-diethyltridecan-3-ylphosphane;hydroiodide.

Molecular Properties

Compound Name3,4-diethyltridecan-3-ylphosphane;hydroiodide
PubChem CID173158517
Molecular FormulaC17H38IP
Molecular Weight400.37 g/mol
Exact Mass400.18
IUPAC Name3,4-diethyltridecan-3-ylphosphane;hydroiodide
SMILESCCCCCCCCCC(CC)C(P)(CC)CC.I
InChIInChI=1S/C17H37P.HI/c1-5-9-10-11-12-13-14-15-16(6-2)17(18,7-3)8-4;/h16H,5-15,18H2,1-4H3;1H
InChIKeyYVIKRDNUGZJGEC-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyldecan-3-ylphosphane;methanesulfonic acid
CID 173110597
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
4-ethyl-3,3-diiodododecane
CID 150472886

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyltridecan-3-ylphosphane;hydroiodide?
The IUPAC name of 3,4-diethyltridecan-3-ylphosphane;hydroiodide (CID 173158517) is 3,4-diethyltridecan-3-ylphosphane;hydroiodide.
What is the SMILES notation for 3,4-diethyltridecan-3-ylphosphane;hydroiodide?
The canonical SMILES for 3,4-diethyltridecan-3-ylphosphane;hydroiodide is CCCCCCCCCC(CC)C(P)(CC)CC.I.
What is the InChIKey of 3,4-diethyltridecan-3-ylphosphane;hydroiodide?
The InChIKey is YVIKRDNUGZJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37P.HI/c1-5-9-10-11-12-13-14-15-16(6-2)17(18,7-3)8-4;/h16H,5-15,18H2,1-4H3;1H.
What are the key properties of 3,4-diethyltridecan-3-ylphosphane;hydroiodide?
3,4-diethyltridecan-3-ylphosphane;hydroiodide has a molecular weight of 400.37 g/mol, XLogP of 7.21, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyltridecan-3-ylphosphane;hydroiodide is sourced from PubChem (CID 173158517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).